Showing entry for Cirsimaritin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001024
Compound NameCirsimaritin
Structure
FormulaC17H14O6
InchiKeyZIIAJIWLQUVGHB-UHFFFAOYSA-N
SMILESCOC1=C(OC)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C=C1
InchiInChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
IUPAC5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one
Molecular Weight314.29
Pubchem Id188323
Chembl IdCHEMBL348436
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 50049394
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT009437 Adenosine receptor A2a reviewed Adora2a 3020 - - -
reviewed BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 3162 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 1202 - - -
reviewed BXGT009016 Adenosine receptor A1 reviewed Adora1 1200 - - -
reviewed BXGT009437 Adenosine receptor A2a reviewed Adora2a 3000 - - -
reviewed BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 1720 - - -
reviewed BXGT009967 Acetylcholinesterase reviewed Ache - >100000 - -
reviewed BXGT006700 Aldo-keto reductase family 1 member B1 reviewed Akr1b1 - 1412.54 - -
CHEMBL CHEMBL348436
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P07943 BXGT006700 Aldo-keto reductase family 1 member B1 reviewed - Akr1b1 IC50 '=' 1412 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 50 %
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 39810 nM
P80457 BXGT011911 Xanthine dehydrogenase/oxidase reviewed - XDH Inhibition '=' 0 %
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 22387 nM
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 Ki '=' 1720 nM
P0DMS8 BXGT007506 Adenosine receptor A3 reviewed G-protein coupled receptor ADORA3 pKi(uM) '=' 0 -
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 39810 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 89125 nM
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Activity '=' 48 %
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 20587 nM
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 IC50 '=' 6 %
Q86831 BXGT017584 Polyprotein II unreviewed - Inhibition '=' 50 %
P37136 BXGT009967 Acetylcholinesterase reviewed - Ache IC50 '>' 500000 nM
P42227 BXGT010289 Signal transducer and activator of transcription 3 reviewed - Stat3 Inhibition - - -
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 22387 nM
Q965D5 BXGT019600 Enoyl-acyl-carrier protein reductase unreviewed - fabI Activity - - -
P01101 BXGT005728 Proto-oncogene c-Fos reviewed - Fos Inhibition - - -
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 19011 nM
Q965D6 BXGT019601 3-oxoacyl-acyl-carrier protein reductase unreviewed - fabG IC50 '=' 70000 nM
P37136 BXGT009967 Acetylcholinesterase reviewed - Ache IC50 '>' 100000 nM
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a Ki '=' 3000 nM
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 pKi(uM) '=' 0 -
P30543 BXGT009437 Adenosine receptor A2a reviewed - Adora2a pKi(uM) '=' 0 -
Q965D7 BXGT019602 Beta-hydroxyacyl-ACP dehydratase unreviewed - fabZ Activity - - -
P25099 BXGT009016 Adenosine receptor A1 reviewed - Adora1 Ki '=' 1200 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 10000 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 70794 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 2238 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 9196 nM
P31750 BXGT009575 RAC-alpha serine/threonine-protein kinase reviewed - Akt1 Inhibition - - -
Q9Z1B7 BXGT022403 Mitogen-activated protein kinase 13 reviewed - Mapk13 Inhibition - - -
Q9WUI1 BXGT021940 Mitogen-activated protein kinase 11 reviewed - Mapk11 Inhibition - - -
O08911 BXGT004043 Mitogen-activated protein kinase 12 reviewed - Mapk12 Inhibition - - -
P47811 BXGT010587 Mitogen-activated protein kinase 14 reviewed - Mapk14 Inhibition - - -
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 10000 nM
Q9Z1E3 BXGT022404 NF-kappa-B inhibitor alpha reviewed - Nfkbia Inhibition - - -
P29477 BXGT009355 Nitric oxide synthase, inducible reviewed - Nos2 Inhibition - - -
P31749 BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 FC '=' 0 -
P22411 BXGT008763 Dipeptidyl peptidase 4 reviewed - DPP4 IC50 '=' 430 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Inhibition - - -
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 - - -
P31749 BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 FC '=' 0 -
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Inhibition '=' 9 %
O42275 BXGT004559 Acetylcholinesterase reviewed - ache IC50 - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00010 Lemon verbena Aloysia triphylla Herbs and Spices
BXGF00019 Tarragon Artemisia dracunculus Herbs and Spices
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00073 Japanese persimmon Diospyros kaki Fruits
BXGF00085 Soy bean Glycine max Soy
BXGF00102 Mexican oregano Lippia graveolens Herbs and Spices
BXGF00159 Rosemary Rosmarinus officinalis Herbs and Spices
BXGF00165 Common sage Salvia officinalis Herbs and Spices
BXGF00168 Winter savory Satureja montana Herbs and Spices
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF00940 Prunus cerasoides Prunus cerasoides Medicinal Plant
BXGF00948 Artemisia apiacea Artemisia apiacea Medicinal Plant
BXGF01065 Artemisia capillaris Artemisia capillaris Medicinal Plant
BXGF01115 Eriodictyon californicum Eriodictyon californicum Medicinal Plant
BXGF01138 Tulipa sylvestris Tulipa sylvestris Human Edible Plant
BXGF01744 Xylosma longifolia Xylosma longifolia Medicinal Plant
BXGF01800 Salvia palaestina Salvia palaestina Others
BXGF01864 Baccharis trimera Baccharis trimera Medicinal Plant
BXGF01890 Trollius chinensis Trollius chinensis Medicinal Plant
BXGF01966 Chromolaena odorata Chromolaena odorata Medicinal Plant
BXGF02311 Cirsium chinense Cirsium chinense Medicinal Plant
BXGF02592 Ilex affinis Ilex affinis Human Edible Plant
BXGF02667 Anaxagorea clavata Anaxagorea clavata Others
BXGF02737 Artemisia scoparia Artemisia scoparia Medicinal Plant
BXGF02909 Eupatorium leucolepis Eupatorium leucolepis Others
BXGF03144 Stenostomum lucidum Stenostomum lucidum Others
BXGF03147 Beyeria brevifolia Beyeria brevifolia Others
BXGF03249 Vitex trifolia Vitex trifolia Medicinal Plant
BXGF03421 Kaempferia pulchra Kaempferia pulchra Medicinal Plant
BXGF03534 Drosera peltata Drosera peltata Medicinal Plant
BXGF03712 Arnica nevadensis Arnica nevadensis Others
BXGF03745 Odixia angusta Odixia angusta Others
BXGF03760 Prunus laurocerasus Prunus laurocerasus Medicinal Plant
BXGF03812 Ficus formosana Ficus formosana Human Edible Plant
BXGF03843 Dipterocarpus alatus Dipterocarpus alatus Medicinal Plant
BXGF03864 Echinops amplexicaulis Echinops amplexicaulis Medicinal Plant
BXGF03873 Quercus aegilops Quercus aegilops Medicinal Plant
BXGF03883 Chloranthus tianmushanensis Chloranthus tianmushanensis Others
BXGF03897 Prosopis glandulosa Prosopis glandulosa Human Edible Plant
BXGF03916 Aria pallescens Aria pallescens Others
BXGF03926 Simira eliezeriana Simira eliezeriana Others
BXGF03939 Senecio squalidus Senecio squalidus Medicinal Plant
BXGF03951 Araujia sericifera Araujia sericifera Medicinal Plant
BXGF03966 Artemisia monogyna Artemisia monogyna Others
BXGF03986 Epaltes gariepina Epaltes gariepina Others
BXGF03991 Seriphidium cinum Seriphidium cinum Medicinal Plant
BXGF04002 Dendrosenecio kilimanjari Dendrosenecio kilimanjari Others
BXGF04009 Isodon kameba Isodon kameba Medicinal Plant
BXGF04016 Pterocarpus grandiflorus Pterocarpus grandiflorus Others
BXGF04030 Chromolaena pulchella Chromolaena pulchella Others
BXGF04041 Bursaria spinosa Bursaria spinosa Human Edible Plant
BXGF04054 Taxodium mucronatum Taxodium mucronatum Medicinal Plant
BXGF04066 Gardenia fosbergii Gardenia fosbergii Others
BXGF04073 Vitex madiensis Vitex madiensis Medicinal Plant
BXGF04144 Agnorhiza bolanderi Agnorhiza bolanderi Others
BXGF04271 Artemisia annua Artemisia annua Medicinal Plant
BXGF04385 Vatica cinerea Vatica cinerea Others
BXGF04536 Acer triflorum Acer triflorum Others
BXGF04705 Abrus precatorius Abrus precatorius Medicinal Plant
BXGF04708 Sesbania punicea Sesbania punicea Others
BXGF05011 Artemisia capillaries Artemisia capillaries Others
BXGF05052 microtea debilis microtea debilis Others
BXGF05238 Drimia sanguinea Drimia sanguinea Medicinal Plant
BXGF05281 Fritillaria thunbergii Fritillaria thunbergii Medicinal Plant
BXGF05355 Plectranthus sylvestris Plectranthus sylvestris Medicinal Plant
BXGF05460 Bryum weigelii Bryum weigelii Others
BXGF05534 Walsura chrysogyne Walsura chrysogyne Others
BXGF05683 Vaccinium ashei Vaccinium ashei Medicinal Plant
BXGF05704 Securidaca inappendiculata Securidaca inappendiculata Medicinal Plant
BXGF05754 Dalea purpurea Dalea purpurea Medicinal Plant
BXGF05784 Zaluzianskya capensis Zaluzianskya capensis Others
BXGF05843 Pteris prolifera Pteris prolifera Others
BXGF06184 Plantago cornuti Plantago cornuti Medicinal Plant
BXGF06202 Solidago spathulata Solidago spathulata Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease